N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

C17H23NO2 — CID 62485481

IUPACN-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cc(C)cc(C)c2C)o1
InChIInChI=1S/C17H23NO2/c1-5-18-10-15-6-7-16(20-15)11-19-17-9-12(2)8-13(3)14(17)4/h6-9,18H,5,10-11H2,1-4H3
InChIKeyMWZZVVQJXVOPNP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.89
Rot. Bonds6

About N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62485481) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62485481
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cc(C)cc(C)c2C)o1
InChIInChI=1S/C17H23NO2/c1-5-18-10-15-6-7-16(20-15)11-19-17-9-12(2)8-13(3)14(17)4/h6-9,18H,5,10-11H2,1-4H3
InChIKeyMWZZVVQJXVOPNP-UHFFFAOYSA-N
XLogP3.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453396
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451647
N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62484481
3-methyl-5-[(2,3,5-trimethylphenoxy)methyl]furan-2-carboxylic acid
CID 43620802
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453744
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218
N-[[5-[(4-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63214658
N-[[5-[(2,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452940

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62485481) is N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(COc2cc(C)cc(C)c2C)o1.
What is the InChIKey of N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is MWZZVVQJXVOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-18-10-15-6-7-16(20-15)11-19-17-9-12(2)8-13(3)14(17)4/h6-9,18H,5,10-11H2,1-4H3.
What are the key properties of N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,3,5-trimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62485481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).